SCHEMBL14088022

SCHEMBL14088022

Cc1ccc2oc(=O)cc(C)c2c1CC=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 14/20 0.44
▸ ALDH1A1 P00352 15/20 0.41
▸ HPGD P15428 11/20 0.41
▸ HSD17B10 Q99714 9/20 0.41
▸ CASP1 P29466 4/20 0.41
▸ CASP7 P55210 4/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GAA P10253 5/20 0.40
▸ HTT P42858 2/20 0.39
▸ MAPK1 P28482 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ PON1 P27169 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GLA P06280 3/20 0.38
▸ CA12 O43570 2/20 0.38
▸ AKR1B1 P15121 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14088020 0.83 PDE4D (0.46) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL14088053 0.78 MAPT (0.39) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL14088024 0.77 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL14088006 0.74 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL4924046 0.71 CA9 (0.62) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL4931168 0.71 PDE4D (0.43) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL4922401 0.69 ALDH1A1 (0.46) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL4925486 0.68 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL15842423 0.66 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10CASP1
SCHEMBL10098945 0.65 ALDH1A1 (0.41) ALDH1A1HPGDHSD17B10CYP3A4TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT KDM4E 1183/4885ALDH1A1 181/4885HPGD 296/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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